# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.49230481
_cell_length_b   10.31578594
_cell_length_c   49.80565385
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.03933327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5881.74433248
_cell_formula_units_Z   48
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.533989  0.163296  0.306973  1
  Fe  Fe2  1  0.609537  0.561377  0.345466  1
  Fe  Fe3  1  0.172256  0.065123  0.277727  1
  Fe  Fe4  1  0.242974  0.462511  0.317676  1
  Fe  Fe5  1  0.344849  0.813508  0.308483  1
  Fe  Fe6  1  0.273228  0.414605  0.271566  1
  Fe  Fe7  1  0.487140  0.736549  0.343552  1
  Fe  Fe8  1  0.405641  0.334346  0.306664  1
  Fe  Fe9  1  0.492191  0.979896  0.345845  1
  Fe  Fe10  1  0.413658  0.581619  0.307161  1
  Fe  Fe11  1  0.350093  0.056964  0.311727  1
  Fe  Fe12  1  0.278156  0.658940  0.273795  1
  Fe  Fe13  1  0.514684  0.932235  0.299026  1
  Fe  Fe14  1  0.593121  0.331614  0.338053  1
  Fe  Fe15  1  0.148254  0.830354  0.271465  1
  Fe  Fe16  1  0.225716  0.230641  0.310315  1
  Fe  Fe17  1  0.683154  0.003777  0.334772  1
  Fe  Fe18  1  0.604509  0.602940  0.296523  1
  Fe  Fe19  1  0.655248  0.790741  0.320690  1
  Fe  Fe20  1  0.572175  0.374520  0.283830  1
  Fe  Fe21  1  0.033989  0.163296  0.306973  1
  Fe  Fe22  1  0.109537  0.561377  0.345466  1
  Fe  Fe23  1  0.672256  0.065123  0.277727  1
  Fe  Fe24  1  0.742974  0.462511  0.317676  1
  Fe  Fe25  1  0.844849  0.813508  0.308483  1
  Fe  Fe26  1  0.773228  0.414605  0.271566  1
  Fe  Fe27  1  0.987140  0.736549  0.343552  1
  Fe  Fe28  1  0.905641  0.334346  0.306664  1
  Fe  Fe29  1  0.992191  0.979896  0.345845  1
  Fe  Fe30  1  0.913658  0.581619  0.307161  1
  Fe  Fe31  1  0.850093  0.056964  0.311727  1
  Fe  Fe32  1  0.778156  0.658940  0.273795  1
  Fe  Fe33  1  0.014684  0.932235  0.299026  1
  Fe  Fe34  1  0.093121  0.331614  0.338053  1
  Fe  Fe35  1  0.648254  0.830354  0.271465  1
  Fe  Fe36  1  0.725716  0.230641  0.310315  1
  Fe  Fe37  1  0.183154  0.003777  0.334772  1
  Fe  Fe38  1  0.104509  0.602940  0.296523  1
  Fe  Fe39  1  0.155248  0.790741  0.320690  1
  Fe  Fe40  1  0.072175  0.374520  0.283830  1
  Fe  Fe41  1  0.689767  0.961197  0.383891  1
  Fe  Fe42  1  0.768578  0.360620  0.422441  1
  Fe  Fe43  1  0.322934  0.860772  0.355845  1
  Fe  Fe44  1  0.402079  0.260510  0.394462  1
  Fe  Fe45  1  0.503662  0.611831  0.386375  1
  Fe  Fe46  1  0.423471  0.212690  0.348077  1
  Fe  Fe47  1  0.645963  0.535601  0.420353  1
  Fe  Fe48  1  0.566279  0.135551  0.382146  1
  Fe  Fe49  1  0.651590  0.778993  0.422873  1
  Fe  Fe50  1  0.571840  0.379845  0.384537  1
  Fe  Fe51  1  0.509566  0.855584  0.388872  1
  Fe  Fe52  1  0.429212  0.456201  0.350489  1
  Fe  Fe53  1  0.673508  0.731073  0.376265  1
  Fe  Fe54  1  0.752883  0.130334  0.414814  1
  Fe  Fe55  1  0.307214  0.630865  0.348465  1
  Fe  Fe56  1  0.386226  0.030737  0.386676  1
  Fe  Fe57  1  0.842435  0.802144  0.411774  1
  Fe  Fe58  1  0.762697  0.402909  0.373396  1
  Fe  Fe59  1  0.812681  0.588866  0.397474  1
  Fe  Fe60  1  0.732938  0.189115  0.359040  1
  Fe  Fe61  1  0.189767  0.961197  0.383891  1
  Fe  Fe62  1  0.268578  0.360620  0.422441  1
  Fe  Fe63  1  0.822934  0.860772  0.355845  1
  Fe  Fe64  1  0.902079  0.260510  0.394462  1
  Fe  Fe65  1  0.003662  0.611831  0.386375  1
  Fe  Fe66  1  0.923471  0.212690  0.348077  1
  Fe  Fe67  1  0.145963  0.535601  0.420353  1
  Fe  Fe68  1  0.066279  0.135551  0.382146  1
  Fe  Fe69  1  0.151590  0.778993  0.422873  1
  Fe  Fe70  1  0.071840  0.379845  0.384537  1
  Fe  Fe71  1  0.009566  0.855584  0.388872  1
  Fe  Fe72  1  0.929212  0.456201  0.350489  1
  Fe  Fe73  1  0.173508  0.731073  0.376265  1
  Fe  Fe74  1  0.252883  0.130334  0.414814  1
  Fe  Fe75  1  0.807214  0.630865  0.348465  1
  Fe  Fe76  1  0.886226  0.030737  0.386676  1
  Fe  Fe77  1  0.342435  0.802144  0.411774  1
  Fe  Fe78  1  0.262697  0.402909  0.373396  1
  Fe  Fe79  1  0.312681  0.588866  0.397474  1
  Fe  Fe80  1  0.232938  0.189115  0.359040  1
  Fe  Fe81  1  0.848474  0.759909  0.460868  1
  Fe  Fe82  1  0.928126  0.159158  0.499326  1
  Fe  Fe83  1  0.481912  0.659899  0.432985  1
  Fe  Fe84  1  0.561544  0.059061  0.471394  1
  Fe  Fe85  1  0.663002  0.410373  0.463291  1
  Fe  Fe86  1  0.583171  0.011247  0.424808  1
  Fe  Fe87  1  0.805420  0.334103  0.497284  1
  Fe  Fe88  1  0.725632  0.934860  0.458797  1
  Fe  Fe89  1  0.811029  0.577535  0.499797  1
  Fe  Fe90  1  0.731251  0.178237  0.461338  1
  Fe  Fe91  1  0.668669  0.653862  0.465808  1
  Fe  Fe92  1  0.588600  0.254233  0.427346  1
  Fe  Fe93  1  0.832711  0.529567  0.453202  1
  Fe  Fe94  1  0.912420  0.928843  0.491662  1
  Fe  Fe95  1  0.466134  0.429351  0.425333  1
  Fe  Fe96  1  0.545856  0.828861  0.463715  1
  Fe  Fe97  1  0.001896  0.600648  0.488688  1
  Fe  Fe98  1  0.922143  0.201367  0.450239  1
  Fe  Fe99  1  0.972063  0.387313  0.474382  1
  Fe  Fe100  1  0.892370  0.987811  0.435959  1
  Fe  Fe101  1  0.348474  0.759909  0.460868  1
  Fe  Fe102  1  0.428126  0.159158  0.499326  1
  Fe  Fe103  1  0.981912  0.659899  0.432985  1
  Fe  Fe104  1  0.061544  0.059061  0.471394  1
  Fe  Fe105  1  0.163002  0.410373  0.463291  1
  Fe  Fe106  1  0.083171  0.011247  0.424808  1
  Fe  Fe107  1  0.305420  0.334103  0.497284  1
  Fe  Fe108  1  0.225632  0.934860  0.458797  1
  Fe  Fe109  1  0.311029  0.577535  0.499797  1
  Fe  Fe110  1  0.231251  0.178237  0.461338  1
  Fe  Fe111  1  0.168669  0.653862  0.465808  1
  Fe  Fe112  1  0.088600  0.254233  0.427346  1
  Fe  Fe113  1  0.332711  0.529567  0.453202  1
  Fe  Fe114  1  0.412420  0.928843  0.491662  1
  Fe  Fe115  1  0.966134  0.429351  0.425333  1
  Fe  Fe116  1  0.045856  0.828861  0.463715  1
  Fe  Fe117  1  0.501896  0.600648  0.488688  1
  Fe  Fe118  1  0.422143  0.201367  0.450239  1
  Fe  Fe119  1  0.472063  0.387313  0.474382  1
  Fe  Fe120  1  0.392370  0.987811  0.435959  1
  Fe  Fe121  1  0.007886  0.558360  0.537808  1
  Fe  Fe122  1  0.087608  0.957869  0.576190  1
  Fe  Fe123  1  0.641322  0.458377  0.509861  1
  Fe  Fe124  1  0.721031  0.857654  0.548321  1
  Fe  Fe125  1  0.822491  0.208984  0.540185  1
  Fe  Fe126  1  0.742713  0.809685  0.501725  1
  Fe  Fe127  1  0.965142  0.132987  0.574177  1
  Fe  Fe128  1  0.885073  0.733358  0.535714  1
  Fe  Fe129  1  0.970571  0.375973  0.576714  1
  Fe  Fe130  1  0.890740  0.976848  0.538231  1
  Fe  Fe131  1  0.828110  0.452360  0.542725  1
  Fe  Fe132  1  0.748322  0.053117  0.504239  1
  Fe  Fe133  1  0.992198  0.328159  0.530128  1
  Fe  Fe134  1  0.071830  0.727321  0.568537  1
  Fe  Fe135  1  0.625616  0.228062  0.502196  1
  Fe  Fe136  1  0.705268  0.627312  0.540654  1
  Fe  Fe137  1  0.161372  0.399410  0.565563  1
  Fe  Fe138  1  0.081679  -0.000093  0.527141  1
  Fe  Fe139  1  0.131599  0.185853  0.551283  1
  Fe  Fe140  1  0.051846  0.786572  0.512835  1
  Fe  Fe141  1  0.507886  0.558360  0.537808  1
  Fe  Fe142  1  0.587608  0.957869  0.576190  1
  Fe  Fe143  1  0.141322  0.458377  0.509861  1
  Fe  Fe144  1  0.221031  0.857654  0.548321  1
  Fe  Fe145  1  0.322491  0.208984  0.540185  1
  Fe  Fe146  1  0.242713  0.809685  0.501725  1
  Fe  Fe147  1  0.465142  0.132987  0.574177  1
  Fe  Fe148  1  0.385073  0.733358  0.535714  1
  Fe  Fe149  1  0.470571  0.375973  0.576714  1
  Fe  Fe150  1  0.390740  0.976848  0.538231  1
  Fe  Fe151  1  0.328110  0.452360  0.542725  1
  Fe  Fe152  1  0.248322  0.053117  0.504239  1
  Fe  Fe153  1  0.492198  0.328159  0.530128  1
  Fe  Fe154  1  0.571830  0.727321  0.568537  1
  Fe  Fe155  1  0.125616  0.228062  0.502196  1
  Fe  Fe156  1  0.205268  0.627312  0.540654  1
  Fe  Fe157  1  0.661372  0.399410  0.565563  1
  Fe  Fe158  1  0.581679  -0.000093  0.527141  1
  Fe  Fe159  1  0.631599  0.185853  0.551283  1
  Fe  Fe160  1  0.551846  0.786572  0.512835  1
  Fe  Fe161  1  0.167516  0.356483  0.614847  1
  Fe  Fe162  1  0.246528  0.756355  0.653057  1
  Fe  Fe163  1  0.800859  0.256887  0.586708  1
  Fe  Fe164  1  0.880234  0.656147  0.625258  1
  Fe  Fe165  1  0.981902  0.007375  0.616985  1
  Fe  Fe166  1  0.902152  0.608227  0.578650  1
  Fe  Fe167  1  0.124530  0.931019  0.651033  1
  Fe  Fe168  1  0.044176  0.531636  0.612650  1
  Fe  Fe169  1  0.130271  0.174530  0.653445  1
  Fe  Fe170  1  0.050080  0.775389  0.615148  1
  Fe  Fe171  1  0.987463  0.251669  0.619377  1
  Fe  Fe172  1  0.907779  0.851620  0.581170  1
  Fe  Fe173  1  0.151663  0.126710  0.607060  1
  Fe  Fe174  1  0.230808  0.526448  0.645678  1
  Fe  Fe175  1  0.785164  0.026600  0.579082  1
  Fe  Fe176  1  0.863975  0.426024  0.617631  1
  Fe  Fe177  1  0.320804  0.198105  0.642483  1
  Fe  Fe178  1  0.241061  0.798354  0.604048  1
  Fe  Fe179  1  0.291045  0.984311  0.628127  1
  Fe  Fe180  1  0.211307  0.585076  0.589748  1
  Fe  Fe181  1  0.667516  0.356483  0.614847  1
  Fe  Fe182  1  0.746528  0.756355  0.653057  1
  Fe  Fe183  1  0.300859  0.256887  0.586708  1
  Fe  Fe184  1  0.380234  0.656147  0.625258  1
  Fe  Fe185  1  0.481902  0.007375  0.616985  1
  Fe  Fe186  1  0.402152  0.608227  0.578650  1
  Fe  Fe187  1  0.624530  0.931019  0.651033  1
  Fe  Fe188  1  0.544176  0.531636  0.612650  1
  Fe  Fe189  1  0.630271  0.174530  0.653445  1
  Fe  Fe190  1  0.550080  0.775389  0.615148  1
  Fe  Fe191  1  0.487463  0.251669  0.619377  1
  Fe  Fe192  1  0.407779  0.851620  0.581170  1
  Fe  Fe193  1  0.651663  0.126710  0.607060  1
  Fe  Fe194  1  0.730808  0.526448  0.645678  1
  Fe  Fe195  1  0.285164  0.026600  0.579082  1
  Fe  Fe196  1  0.363975  0.426024  0.617631  1
  Fe  Fe197  1  0.820804  0.198105  0.642483  1
  Fe  Fe198  1  0.741061  0.798354  0.604048  1
  Fe  Fe199  1  0.791045  0.984311  0.628127  1
  Fe  Fe200  1  0.711307  0.585076  0.589748  1
  Fe  Fe201  1  0.328026  0.156579  0.691208  1
  Fe  Fe202  1  0.405488  0.556866  0.730057  1
  Fe  Fe203  1  0.960621  0.055606  0.663469  1
  Fe  Fe204  1  0.039058  0.454985  0.702496  1
  Fe  Fe205  1  0.140084  0.805601  0.694362  1
  Fe  Fe206  1  0.061551  0.407324  0.655677  1
  Fe  Fe207  1  0.275586  0.728280  0.727727  1
  Fe  Fe208  1  0.203649  0.330257  0.689795  1
  Fe  Fe209  1  0.280514  0.972615  0.729956  1
  Fe  Fe210  1  0.208893  0.573712  0.693039  1
  Fe  Fe211  1  0.148101  0.052874  0.694859  1
  Fe  Fe212  1  0.066602  0.650671  0.657970  1
  Fe  Fe213  1  0.310768  0.924709  0.683846  1
  Fe  Fe214  1  0.381486  0.322097  0.723795  1
  Fe  Fe215  1  0.944205  0.825843  0.656056  1
  Fe  Fe216  1  0.019753  0.223924  0.694550  1
  Fe  Fe217  1  0.481567  0.012700  0.717692  1
  Fe  Fe218  1  0.398494  0.596479  0.680833  1
  Fe  Fe219  1  0.449233  0.784280  0.704999  1
  Fe  Fe220  1  0.370588  0.383443  0.666751  1
  Fe  Fe221  1  0.828026  0.156579  0.691208  1
  Fe  Fe222  1  0.905488  0.556866  0.730057  1
  Fe  Fe223  1  0.460621  0.055606  0.663469  1
  Fe  Fe224  1  0.539058  0.454985  0.702496  1
  Fe  Fe225  1  0.640084  0.805601  0.694362  1
  Fe  Fe226  1  0.561551  0.407324  0.655677  1
  Fe  Fe227  1  0.775586  0.728280  0.727727  1
  Fe  Fe228  1  0.703649  0.330257  0.689795  1
  Fe  Fe229  1  0.780514  0.972615  0.729956  1
  Fe  Fe230  1  0.708893  0.573712  0.693039  1
  Fe  Fe231  1  0.648101  0.052874  0.694859  1
  Fe  Fe232  1  0.566602  0.650671  0.657970  1
  Fe  Fe233  1  0.810768  0.924709  0.683846  1
  Fe  Fe234  1  0.881486  0.322097  0.723795  1
  Fe  Fe235  1  0.444205  0.825843  0.656056  1
  Fe  Fe236  1  0.519753  0.223924  0.694550  1
  Fe  Fe237  1  0.981567  0.012700  0.717692  1
  Fe  Fe238  1  0.898494  0.596479  0.680833  1
  Fe  Fe239  1  0.949233  0.784280  0.704999  1
  Fe  Fe240  1  0.870588  0.383443  0.666751  1
  C  C241  1  0.179768  0.250920  0.273558  1
  C  C242  1  0.256003  0.647531  0.312002  1
  C  C243  1  0.450970  0.067910  0.278749  1
  C  C244  1  0.526898  0.464257  0.317375  1
  C  C245  1  0.503495  0.747609  0.305201  1
  C  C246  1  0.580666  0.146584  0.343759  1
  C  C247  1  0.229272  0.930116  0.299415  1
  C  C248  1  0.308776  0.328952  0.338176  1
  C  C249  1  0.679768  0.250920  0.273558  1
  C  C250  1  0.756003  0.647531  0.312002  1
  C  C251  1  0.950970  0.067910  0.278749  1
  C  C252  1  0.026898  0.464257  0.317375  1
  C  C253  1  0.003495  0.747609  0.305201  1
  C  C254  1  0.080666  0.146584  0.343759  1
  C  C255  1  0.729272  0.930116  0.299415  1
  C  C256  1  0.808776  0.328952  0.338176  1
  C  C257  1  0.335371  0.045755  0.350127  1
  C  C258  1  0.414534  0.445630  0.388885  1
  C  C259  1  0.607384  0.864295  0.355742  1
  C  C260  1  0.686551  0.263389  0.394287  1
  C  C261  1  0.660901  0.546052  0.381960  1
  C  C262  1  0.740638  0.945248  0.420406  1
  C  C263  1  0.389039  0.728359  0.376607  1
  C  C264  1  0.468146  0.127171  0.414964  1
  C  C265  1  0.835371  0.045755  0.350127  1
  C  C266  1  0.914534  0.445630  0.388885  1
  C  C267  1  0.107384  0.864295  0.355742  1
  C  C268  1  0.186551  0.263389  0.394287  1
  C  C269  1  0.160901  0.546052  0.381960  1
  C  C270  1  0.240638  0.945248  0.420406  1
  C  C271  1  0.889039  0.728359  0.376607  1
  C  C272  1  0.968146  0.127171  0.414964  1
  C  C273  1  0.494279  0.844900  0.427255  1
  C  C274  1  0.573945  0.244119  0.465746  1
  C  C275  1  0.766350  0.662761  0.432716  1
  C  C276  1  0.846012  0.061996  0.471175  1
  C  C277  1  0.820236  0.344535  0.458891  1
  C  C278  1  0.900061  0.743795  0.497324  1
  C  C279  1  0.548288  0.526669  0.453456  1
  C  C280  1  0.627946  0.925915  0.491886  1
  C  C281  1  0.994279  0.844900  0.427255  1
  C  C282  1  0.073945  0.244119  0.465746  1
  C  C283  1  0.266350  0.662761  0.432716  1
  C  C284  1  0.346012  0.061996  0.471175  1
  C  C285  1  0.320236  0.344535  0.458891  1
  C  C286  1  0.400061  0.743795  0.497324  1
  C  C287  1  0.048288  0.526669  0.453456  1
  C  C288  1  0.127946  0.925915  0.491886  1
  C  C289  1  0.653681  0.643425  0.504199  1
  C  C290  1  0.733507  0.042685  0.542632  1
  C  C291  1  0.925796  0.461305  0.509637  1
  C  C292  1  0.005454  0.860551  0.548066  1
  C  C293  1  0.979797  0.143101  0.535776  1
  C  C294  1  0.059463  0.542321  0.574267  1
  C  C295  1  0.707730  0.325224  0.530348  1
  C  C296  1  0.787392  0.724459  0.568806  1
  C  C297  1  0.153681  0.643425  0.504199  1
  C  C298  1  0.233507  0.042685  0.542632  1
  C  C299  1  0.425796  0.461305  0.509637  1
  C  C300  1  0.505454  0.860551  0.548066  1
  C  C301  1  0.479797  0.143101  0.535776  1
  C  C302  1  0.559463  0.542321  0.574267  1
  C  C303  1  0.207730  0.325224  0.530348  1
  C  C304  1  0.287392  0.724459  0.568806  1
  C  C305  1  0.813104  0.441973  0.581116  1
  C  C306  1  0.892841  0.841168  0.619562  1
  C  C307  1  0.085596  0.260049  0.586559  1
  C  C308  1  0.164703  0.658861  0.624915  1
  C  C309  1  0.139208  0.941590  0.612638  1
  C  C310  1  0.218371  0.341465  0.651396  1
  C  C311  1  0.867191  0.123831  0.607235  1
  C  C312  1  0.946358  0.522925  0.645780  1
  C  C313  1  0.313104  0.441973  0.581116  1
  C  C314  1  0.392841  0.841168  0.619562  1
  C  C315  1  0.585596  0.260049  0.586559  1
  C  C316  1  0.664703  0.658861  0.624915  1
  C  C317  1  0.639208  0.941590  0.612638  1
  C  C318  1  0.718371  0.341465  0.651396  1
  C  C319  1  0.367191  0.123831  0.607235  1
  C  C320  1  0.446358  0.522925  0.645780  1
  C  C321  1  0.973076  0.240636  0.657764  1
  C  C322  1  0.050247  0.639611  0.696321  1
  C  C323  1  0.244966  0.058268  0.663347  1
  C  C324  1  0.324470  0.457104  0.702108  1
  C  C325  1  0.297740  0.739689  0.689521  1
  C  C326  1  0.373974  0.136300  0.727964  1
  C  C327  1  0.026844  0.922963  0.684147  1
  C  C328  1  0.102772  0.319310  0.722774  1
  C  C329  1  0.473076  0.240636  0.657764  1
  C  C330  1  0.550247  0.639611  0.696321  1
  C  C331  1  0.744966  0.058268  0.663347  1
  C  C332  1  0.824470  0.457104  0.702108  1
  C  C333  1  0.797740  0.739689  0.689521  1
  C  C334  1  0.873974  0.136300  0.727964  1
  C  C335  1  0.526844  0.922963  0.684147  1
  C  C336  1  0.602772  0.319310  0.722774  1
